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1,7-Dimethylxanthine-[13C4,15N3]

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General Information
Catalog: BLP-001759
CAS: 1173018-79-5
Molecular Formula: C3[13C]4H8N[15N]3O2
Molecular Weight: 187.11

Chemical Structure

Description	1,7-Dimethylxanthine-[13C4,15N3], is the labelled analogue of Paraxanthine. Paraxanthine is a metabolite of caffeine, and also acts as an inhibitor of phosphodiesterase 9 (PDE9) and an antagonist of adenosine receptors A1 and A2 (Kis = 35 and 22 μM, respectively in equine forebrain tissues).
Synonyms	1,7-Dimethylxanthine 13C4, 15N3; 1,7-Dimethylxanthine-2,4,5,6-13C4-1,3,9-15N3
IUPAC Name	1,7-dimethyl-3H-purine-2,6-dione
Related CAS	611-59-6 (unlabelled)
Isomeric SMILES	CN1C=[15N][13C]2=[13C]1[13C](=O)[15N]([13C](=O)[15NH]2)C
Canonical SMILES	CN1C=NC2=C1C(=O)N(C(=O)N2)C
InChI	InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i4+1,5+1,6+1,7+1,8+1,9+1,11+1
InChI Key	QUNWUDVFRNGTCO-UDYOVZSYSA-N
Purity	98% (CP); 96% atom
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C